5-bromo-2-[(2,6-dichlorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one

C11H7BrCl2N2O2 — CID 66287562

IUPAC5-bromo-2-[(2,6-dichlorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(Cc2c(Cl)cccc2Cl)nc(O)c1Br
InChIInChI=1S/C11H7BrCl2N2O2/c12-9-10(17)15-8(16-11(9)18)4-5-6(13)2-1-3-7(5)14/h1-3H,4H2,(H2,15,16,17,18)
InChIKeyVLROVTMJUQVPOO-UHFFFAOYSA-N
MW350.00 g/mol
LogP3.14
Rot. Bonds2

About 5-bromo-2-[(2,6-dichlorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one

5-bromo-2-[(2,6-dichlorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 66287562) has the molecular formula C11H7BrCl2N2O2 and a molecular weight of 350.00 g/mol. Its IUPAC name is 5-bromo-2-[(2,6-dichlorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-[(2,6-dichlorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one
PubChem CID66287562
Molecular FormulaC11H7BrCl2N2O2
Molecular Weight350.00 g/mol
Exact Mass347.91
IUPAC Name5-bromo-2-[(2,6-dichlorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(Cc2c(Cl)cccc2Cl)nc(O)c1Br
InChIInChI=1S/C11H7BrCl2N2O2/c12-9-10(17)15-8(16-11(9)18)4-5-6(13)2-1-3-7(5)14/h1-3H,4H2,(H2,15,16,17,18)
InChIKeyVLROVTMJUQVPOO-UHFFFAOYSA-N
XLogP3.14
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.00
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2,6-dichlorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-[(2,6-dichlorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one (CID 66287562) is 5-bromo-2-[(2,6-dichlorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-[(2,6-dichlorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-[(2,6-dichlorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one is O=c1[nH]c(Cc2c(Cl)cccc2Cl)nc(O)c1Br.
What is the InChIKey of 5-bromo-2-[(2,6-dichlorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is VLROVTMJUQVPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrCl2N2O2/c12-9-10(17)15-8(16-11(9)18)4-5-6(13)2-1-3-7(5)14/h1-3H,4H2,(H2,15,16,17,18).
What are the key properties of 5-bromo-2-[(2,6-dichlorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one?
5-bromo-2-[(2,6-dichlorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 350.00 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(2,6-dichlorophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 66287562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).